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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1249",
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"results": [
{
"id": "jvasp-9913",
"created_at": "2022-09-04T14:38:30.088252Z",
"updated_at": "2022-09-04T14:38:30.088269Z",
"structure_string": "Sb2 F10\n1.0\n3.643200 -0.000000 0.000000\n-1.821599 5.412409 -0.000000\n0.000000 -0.000000 8.440956\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465852 0.931704 0.250000 F\n0.534148 0.068296 0.750000 F\n0.080153 0.160305 0.584157 F\n0.919847 0.839696 0.415844 F\n0.339369 0.678738 0.913544 F\n0.660631 0.321262 0.086457 F\n0.660631 0.321262 0.413544 F\n0.339369 0.678738 0.586457 F\n0.080153 0.160305 0.915844 F\n0.919847 0.839696 0.084156 F\n",
"nsites": 12,
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"elements": [
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"density": 4.324909074241988,
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"volume": 166.44289355164818,
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"formula_full": "Sb2 F10",
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},
{
"id": "jvasp-30689",
"created_at": "2022-09-04T14:38:34.099282Z",
"updated_at": "2022-09-04T14:38:34.099299Z",
"structure_string": "Sb2 F10\n1.0\n3.643082 -0.000000 0.000000\n-1.821540 5.412439 -0.000000\n-0.000000 0.000000 8.441252\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465788 0.931576 0.250000 F\n0.534212 0.068424 0.750000 F\n0.080169 0.160336 0.584119 F\n0.919831 0.839664 0.415881 F\n0.339385 0.678770 0.913503 F\n0.660615 0.321231 0.086497 F\n0.660615 0.321231 0.413503 F\n0.339385 0.678770 0.586496 F\n0.080169 0.160336 0.915880 F\n0.919831 0.839664 0.084119 F\n",
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"volume": 166.44426166345258,
"volume_molar": 8.352923103596527,
"formula_full": "Sb2 F10",
"formula_reduced": "SbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0423734274999999,
"spacegroup": 63
},
{
"id": "jvasp-30626",
"created_at": "2022-09-04T14:37:18.741585Z",
"updated_at": "2022-09-04T14:37:18.741615Z",
"structure_string": "Sb2 F8\n1.0\n4.432894 -0.233559 -2.635593\n-0.771175 4.814053 -1.698002\n-0.669478 0.487595 6.067112\nSb F\n2 8\ndirect\n-0.001754 0.498972 -0.001308 Sb\n0.498228 -0.001286 -0.001144 Sb\n0.007305 0.266852 0.230044 F\n0.535450 0.277576 0.767442 F\n0.123662 0.592624 0.763860 F\n-0.017533 0.138699 0.754558 F\n0.326007 0.858623 0.233703 F\n0.460491 0.402500 0.229527 F\n0.881086 0.726710 0.242699 F\n0.671704 0.731362 0.768089 F\n",
"nsites": 10,
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"elements": [
"Sb",
"F"
],
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"density": 5.284396912906449,
"density_atomic": 0.08046220142742591,
"volume": 124.28195876569012,
"volume_molar": 7.484434496155017,
"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0272740565,
"spacegroup": 5
},
{
"id": "jvasp-11523",
"created_at": "2022-09-04T14:37:10.784712Z",
"updated_at": "2022-09-04T14:37:10.784731Z",
"structure_string": "Sb2 F8\n1.0\n5.145550 0.021103 0.414796\n-0.048163 5.138855 0.495666\n-1.808000 -1.907846 4.370075\nSb F\n2 8\ndirect\n0.498983 0.000453 -0.001293 Sb\n-0.001278 0.500636 -0.001148 Sb\n0.267142 0.222444 0.230083 F\n0.277294 0.232264 0.767500 F\n0.592432 0.640487 0.763853 F\n0.138466 0.772390 0.754628 F\n0.858844 0.907448 0.233660 F\n0.402721 0.768697 0.229444 F\n0.726993 0.361346 0.242701 F\n0.731047 0.096655 0.768045 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 5.283715003439204,
"density_atomic": 0.08045181841914455,
"volume": 124.29799843555023,
"volume_molar": 7.485400427651433,
"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
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"spacegroup": 5
},
{
"id": "jvasp-2157",
"created_at": "2022-09-04T14:35:52.226503Z",
"updated_at": "2022-09-04T14:35:52.226537Z",
"structure_string": "Sb2 F6\n1.0\n4.367152 -0.020172 0.000000\n-1.730556 4.009688 0.000000\n0.000000 0.000000 7.150453\nSb F\n2 6\ndirect\n0.205662 0.790590 0.250000 Sb\n0.790589 0.205663 0.750000 Sb\n0.315356 0.380898 0.250000 F\n0.380898 0.315356 0.750000 F\n0.976715 0.588033 0.932154 F\n0.588031 0.976716 0.067845 F\n0.976715 0.588033 0.567845 F\n0.588031 0.976716 0.432155 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "F-Sb",
"density": 4.750748115523657,
"density_atomic": 0.06401978200444032,
"volume": 124.96137521126097,
"volume_molar": 9.406687388567354,
"formula_full": "Sb2 F6",
"formula_reduced": "SbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 40
},
{
"id": "jvasp-32634",
"created_at": "2022-09-04T14:38:14.019605Z",
"updated_at": "2022-09-04T14:38:14.019626Z",
"structure_string": "Sb2 Cl2 O4 F12\n1.0\n5.737595 0.000000 0.000000\n0.000000 7.091002 0.172594\n0.000000 0.176385 7.126359\nSb Cl O F\n2 2 4 12\ndirect\n-0.007806 0.249999 0.750000 Sb\n0.007806 0.750000 0.250000 Sb\n0.629186 0.250000 0.250000 Cl\n0.370815 0.749999 0.750000 Cl\n0.499778 0.719025 0.918715 O\n0.500223 0.219026 0.418715 O\n0.500223 0.280974 0.081284 O\n0.499778 0.780974 0.581284 O\n0.756799 0.933242 0.212009 F\n0.001220 0.789651 0.513776 F\n0.243202 0.066757 0.787990 F\n-0.001220 0.289652 0.013777 F\n0.756799 0.566757 0.287990 F\n0.243202 0.433242 0.712010 F\n0.762713 0.057695 0.789493 F\n0.001220 0.710348 -0.013777 F\n0.237288 0.557695 0.289492 F\n0.762713 0.442304 0.710507 F\n-0.001220 0.210348 0.486223 F\n0.237288 0.942304 0.210507 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sb",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-Sb",
"density": 3.4751054610638583,
"density_atomic": 0.06902183732302768,
"volume": 289.76336730067635,
"volume_molar": 8.724978924881272,
"formula_full": "Sb2 Cl2 O4 F12",
"formula_reduced": "SbCl(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5242808862500002,
"spacegroup": 13
},
{
"id": "jvasp-38032",
"created_at": "2022-09-04T14:37:45.825577Z",
"updated_at": "2022-09-04T14:37:45.825607Z",
"structure_string": "Sb2 Cl2 O2\n1.0\n3.796177 0.000000 -0.000000\n0.000000 3.796177 -0.000000\n0.000000 -0.000000 7.533612\nSb Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.835854 Sb\n0.000000 0.500000 0.164145 Sb\n0.000000 0.500000 0.656555 Cl\n0.500000 0.000000 0.343444 Cl\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.29860952715396,
"density_atomic": 0.05526562604494583,
"volume": 108.56657979628034,
"volume_molar": 10.896720422749537,
"formula_full": "Sb2 Cl2 O2",
"formula_reduced": "SbClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.798087889166667,
"spacegroup": 129
},
{
"id": "jvasp-32241",
"created_at": "2022-09-04T14:37:56.624755Z",
"updated_at": "2022-09-04T14:37:56.624773Z",
"structure_string": "Sb2 Cl2 F16\n1.0\n5.084033 0.220909 -0.315084\n0.065553 5.599531 -0.009087\n-0.252552 0.249718 10.296942\nSb Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.574860 0.394005 0.748997 Cl\n0.425139 0.605996 0.251002 Cl\n0.885356 0.728460 0.589060 F\n0.114643 0.271540 0.410939 F\n0.820755 0.836460 0.862209 F\n0.179244 0.163540 0.137791 F\n0.879368 0.211772 0.635942 F\n0.120631 0.788228 0.364058 F\n0.280973 0.045116 0.893127 F\n0.397634 0.455134 0.613986 F\n0.602366 0.544866 0.386013 F\n0.373801 0.527168 0.840439 F\n0.626198 0.472833 0.159561 F\n0.668280 0.041339 0.399549 F\n0.331720 0.958661 0.600451 F\n0.719026 0.954884 0.106873 F\n0.170620 0.691655 0.067414 F\n0.829379 0.308345 0.932586 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.5101231877576082,
"density_atomic": 0.06836494342105429,
"volume": 292.5475982159684,
"volume_molar": 8.808814077282435,
"formula_full": "Sb2 Cl2 F16",
"formula_reduced": "SbClF8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-5218",
"created_at": "2022-09-04T14:37:09.630505Z",
"updated_at": "2022-09-04T14:37:09.630532Z",
"structure_string": "Sb2 Cl10\n1.0\n3.684157 -6.381147 0.000000\n3.684157 6.381147 0.000000\n0.000000 0.000000 7.894944\nSb Cl\n2 10\ndirect\n0.666668 0.333333 0.250000 Sb\n0.333333 0.666668 0.750000 Sb\n0.300709 0.150354 0.250000 Cl\n0.150355 0.849646 0.750000 Cl\n0.333333 0.666668 0.052216 Cl\n0.666668 0.333333 0.552216 Cl\n0.666668 0.333333 0.947783 Cl\n0.333333 0.666668 0.447784 Cl\n0.699292 0.849646 0.750000 Cl\n0.849646 0.150355 0.250000 Cl\n0.849646 0.699292 0.250000 Cl\n0.150354 0.300709 0.750000 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cl-Sb",
"density": 2.675288754017807,
"density_atomic": 0.03232699364114944,
"volume": 371.20680423325996,
"volume_molar": 18.628830218020457,
"formula_full": "Sb2 Cl10",
"formula_reduced": "SbCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.2906577395833334,
"spacegroup": 194
},
{
"id": "jvasp-14204",
"created_at": "2022-09-04T14:36:20.572588Z",
"updated_at": "2022-09-04T14:36:20.572613Z",
"structure_string": "Sb4 Cl16 F4\n1.0\n7.148617 -0.000000 3.079247\n3.574308 9.077364 1.539625\n-0.016760 -0.000001 9.876456\nSb Cl F\n4 16 4\ndirect\n0.080523 0.177945 0.724221 Sb\n0.741532 0.275779 0.177945 Sb\n0.982690 0.822055 0.275779 Sb\n0.195256 0.724221 0.822055 Sb\n0.275916 0.872691 0.212369 Cl\n0.511716 0.212369 0.127308 Cl\n0.851394 0.787631 0.872692 Cl\n0.360976 0.127308 0.787631 Cl\n0.300593 0.685956 0.569474 Cl\n0.129933 0.569474 0.314044 Cl\n0.013451 0.430525 0.685956 Cl\n0.556024 0.314044 0.430526 Cl\n0.833436 0.911127 0.516426 Cl\n0.255437 0.483574 0.911127 Cl\n0.260989 0.088873 0.483574 Cl\n0.035274 0.269680 0.196535 Cl\n0.501489 0.730320 0.803465 Cl\n0.768192 0.196535 0.730321 Cl\n0.695047 0.803465 0.269680 Cl\n0.650140 0.516426 0.088873 Cl\n0.093044 0.794477 0.043045 F\n0.930565 0.205523 0.956955 F\n0.863912 0.043045 0.205523 F\n0.112480 0.956954 0.794477 F\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-F-Sb",
"density": 2.9264122704591267,
"density_atomic": 0.03742062102968244,
"volume": 641.3576081744593,
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"formula_full": "Sb4 Cl16 F4",
"formula_reduced": "SbCl4F",
"formula_anonymous": "ABC4",
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"spacegroup": 82
},
{
"id": "jvasp-90035",
"created_at": "2022-09-04T14:36:19.355261Z",
"updated_at": "2022-09-04T14:36:19.355290Z",
"structure_string": "Sb1 Cl6 O2\n1.0\n6.567670 0.000000 -0.000000\n3.283835 -4.649442 3.935150\n3.283835 -4.649442 -3.935150\nSb Cl O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sb\n-0.000001 0.693544 0.306456 Cl\n-0.000001 0.306456 0.693544 Cl\n0.441336 0.815115 0.815115 Cl\n0.071568 0.184884 0.184884 Cl\n0.928431 0.815115 0.815115 Cl\n0.558663 0.184884 0.184884 Cl\n0.500000 0.577122 0.422878 O\n0.500000 0.422878 0.577122 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Cl-O-Sb",
"density": 2.5321658040380686,
"density_atomic": 0.03744889994226379,
"volume": 240.3274866251238,
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"formula_full": "Sb1 Cl6 O2",
"formula_reduced": "Sb(Cl3O)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 71
},
{
"id": "jvasp-88690",
"created_at": "2022-09-04T14:35:52.811404Z",
"updated_at": "2022-09-04T14:35:52.811429Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.528304 -0.000000 2.624140\n3.264153 9.094344 1.312071\n-0.127680 0.000000 9.750231\nSb Cl F\n4 12 8\ndirect\n0.212368 0.820961 0.726824 Sb\n0.939192 0.273176 0.820961 Sb\n0.760153 0.179039 0.273176 Sb\n0.033331 0.726824 0.179039 Sb\n0.675317 0.100043 0.515622 Cl\n0.503089 0.846122 0.769137 Cl\n0.118348 0.153878 0.230863 Cl\n0.272226 0.230863 0.846122 Cl\n0.775359 0.515622 0.899957 Cl\n0.190940 0.484378 0.100043 Cl\n0.346825 0.567216 0.695113 Cl\n0.914041 0.695113 0.432784 Cl\n0.349211 0.769136 0.153878 Cl\n0.609155 0.432783 0.304887 Cl\n0.041939 0.304887 0.567216 Cl\n0.290981 0.899957 0.484378 Cl\n0.673574 0.250258 0.836759 F\n0.886492 0.956880 0.203726 F\n0.760592 0.749741 0.163241 F\n0.510334 0.163241 0.250259 F\n0.923832 0.836759 0.749742 F\n0.090218 0.796274 0.956881 F\n0.843372 0.203726 0.043120 F\n0.047099 0.043119 0.796274 F\n",
"nsites": 24,
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],
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"density": 3.037477633120466,
"density_atomic": 0.04124246082736508,
"volume": 581.9245388984061,
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"formula_full": "Sb4 Cl12 F8",
"formula_reduced": "SbCl3F2",
"formula_anonymous": "AB2C3",
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"spacegroup": 79
}
]
}